N-(2-diethylaminoethyl)-N-(4-ethoxy-1,3-benzothiazol-2-yl)-4-phenylsulfanyl-butanamide

Systemtic Name: N-(2-diethylaminoethyl)-N-(4-ethoxy-1,3-benzothiazol-2-yl)-4-phenylsulfanyl-butanamide Openeye Name: N-(2-diethylaminoethyl)-N-(4-ethoxy-1,3-benzothiazol-2-yl)-4-phenylsulfanyl-butanamide CAS Name: N-(2-diethylaminoethyl)-N-(4-ethoxy-1,3-benzothiazol-2-yl)-4-(phenylthio)butanamide IUPAC Name: N-(2-diethylaminoethyl)-N-(4-ethoxy-1,3-benzothiazol-2-yl)-4-phenylsulfanylbutanamide Traditional Name: N-(2-diethylaminoethyl)-N-(4-ethoxy-1,3-benzothiazol-2-yl)-4-(phenylthio)butyramide Formula: C25H33N3O2S2 MolecularWeight: 471.67842

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CCN(C1=NC2=C(C=CC=C2S1)OCC)C(=O)CCCSC3=CC=CC=C3

Isomeric SMILES

CCN(CC)CCN(C1=NC2=C(C=CC=C2S1)OCC)C(=O)CCCSC3=CC=CC=C3

InChI

InChI=1S/C25H33N3O2S2/c1-4-27(5-2)17-18-28(23(29)16-11-19-31-20-12-8-7-9-13-20)25-26-24-21(30-6-3)14-10-15-22(24)32-25/h7-10,12-15H,4-6,11,16-19H2,1-3H3